N-azido-2,2,2-trifluoroacetamide

C2HF3N4O — CID 54361791

IUPACN-azido-2,2,2-trifluoroacetamide
SMILES[N-]=[N+]=NNC(=O)C(F)(F)F
InChIInChI=1S/C2HF3N4O/c3-2(4,5)1(10)7-9-8-6/h(H,7,10)
InChIKeyUNAGWTFYUPVVDD-UHFFFAOYSA-N
MW154.05 g/mol
LogP0.89
Rot. Bonds1

About N-azido-2,2,2-trifluoroacetamide

N-azido-2,2,2-trifluoroacetamide (PubChem CID 54361791) has the molecular formula C2HF3N4O and a molecular weight of 154.05 g/mol. Its IUPAC name is N-azido-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-azido-2,2,2-trifluoroacetamide
PubChem CID54361791
Molecular FormulaC2HF3N4O
Molecular Weight154.05 g/mol
Exact Mass154.01
IUPAC NameN-azido-2,2,2-trifluoroacetamide
SMILES[N-]=[N+]=NNC(=O)C(F)(F)F
InChIInChI=1S/C2HF3N4O/c3-2(4,5)1(10)7-9-8-6/h(H,7,10)
InChIKeyUNAGWTFYUPVVDD-UHFFFAOYSA-N
XLogP0.89
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.05
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Trifluoroacetohydrazide
CID 229753
N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide
CID 154143416
Diiminoazanium;2,2,2-trifluoroacetamide
CID 156113009
Hydrazine;2,2,2-trifluoroacetohydrazide
CID 159109620

Frequently Asked Questions

What is the IUPAC name of N-azido-2,2,2-trifluoroacetamide?
The IUPAC name of N-azido-2,2,2-trifluoroacetamide (CID 54361791) is N-azido-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-azido-2,2,2-trifluoroacetamide?
The canonical SMILES for N-azido-2,2,2-trifluoroacetamide is [N-]=[N+]=NNC(=O)C(F)(F)F.
What is the InChIKey of N-azido-2,2,2-trifluoroacetamide?
The InChIKey is UNAGWTFYUPVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3N4O/c3-2(4,5)1(10)7-9-8-6/h(H,7,10).
What are the key properties of N-azido-2,2,2-trifluoroacetamide?
N-azido-2,2,2-trifluoroacetamide has a molecular weight of 154.05 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-azido-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54361791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).